methyl 2-[[2-(ethanoylsulfanylmethyl)-3-(4-fluorophenyl)propanoyl]-phenyl-amino]ethanoate

Systemtic Name: methyl 2-[[2-(ethanoylsulfanylmethyl)-3-(4-fluorophenyl)propanoyl]-phenyl-amino]ethanoate Openeye Name: methyl 2-(N-[2-(acetylsulfanylmethyl)-3-(4-fluorophenyl)propanoyl]anilino)acetate CAS Name: 2-(N-[2-[(acetylthio)methyl]-3-(4-fluorophenyl)-1-oxopropyl]anilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-[2-(acetylsulfanylmethyl)-3-(4-fluorophenyl)propanoyl]anilino)acetate Traditional Name: 2-(N-[2-[(acetylthio)methyl]-3-(4-fluorophenyl)propanoyl]anilino)acetic acid methyl ester Formula: C21H22FNO4S MolecularWeight: 403.467083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=C(C=C1)F)C(=O)N(CC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC(=O)SCC(CC1=CC=C(C=C1)F)C(=O)N(CC(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C21H22FNO4S/c1-15(24)28-14-17(12-16-8-10-18(22)11-9-16)21(26)23(13-20(25)27-2)19-6-4-3-5-7-19/h3-11,17H,12-14H2,1-2H3